Vitas-M small molecule compound
1,3-dimethyl-5-[2-(methylsulfanyl)-7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK599146
SMILES CSc1nc2n(n1)C(CC(=C1C(=O)N(C)C(=O)N(C1=O)C)N2)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H18N6O3S MW 398.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O3S/c1-22-14(25)13(15(26)23(2)18(22)27)11-9-12(10-7-5-4-6-8-10)24-16(19-11)20-17(21-24)28-3/h4-8,12H,9H2,1-3H3,(H,19,20,21)InChIKey
VLTXWFGPGBFGEC-UHFFFAOYSA-NSynonyms
13dimethyl5(2(methylsulfanyl)7phenyl67dihydro(124)triazolo(15a)pyrimidin5(4H)ylidene)pyrimidine246(1H3H5H)trione
13dimethyl5(2(methylthio)7phenyl67dihydro(124)triazolo(15a)pyrimidin5(4H)ylidene)pyrimidine246(1H3H5H)trione
13dimethyl5(2methylsulfanyl7phenyl67dihydro1H(124)triazolo(15a)pyrimidin5ylidene)13diazinane246trione
CN1C(=O)C(=C2CC(N3C(=N2)N=C(N3)SC)C4=CC=CC=C4)C(=O)N(C1=O)C
InChI=1SC18H18N6O3Sc12214(25)13(15(26)23(2)18(22)27)11912(107546810)2416(1911)2017(2124)283h4812H9H213H3(H192021)
MFCD07638309
ZINC000005354435
ZINC000005354439
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